methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate

C12H10BrNO3 — CID 68757437

IUPACmethyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate
SMILESCOC(=O)Cc1cc2ccc(Br)cc2[nH]c1=O
InChIInChI=1S/C12H10BrNO3/c1-17-11(15)5-8-4-7-2-3-9(13)6-10(7)14-12(8)16/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyGSJKLEDACOLIPF-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.01
Rot. Bonds2

About methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate

methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate (PubChem CID 68757437) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate
PubChem CID68757437
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Namemethyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate
SMILESCOC(=O)Cc1cc2ccc(Br)cc2[nH]c1=O
InChIInChI=1S/C12H10BrNO3/c1-17-11(15)5-8-4-7-2-3-9(13)6-10(7)14-12(8)16/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyGSJKLEDACOLIPF-UHFFFAOYSA-N
XLogP2.01
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(6-bromo-2-oxo-1H-quinolin-4-yl)acetate
CID 165461365
7-bromo-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690288
methyl 2-(4-bromo-2-iodophenyl)acetate
CID 86241402
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
methyl 4-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methylamino]-4-oxobutanoate
CID 110662689
7-bromo-2-oxo-1H-quinoline-3-carbaldehyde
CID 22690268
[5-bromo-2-(2-methoxy-2-oxoethyl)phenyl]-oxidoazanium
CID 140906476
methyl 2-[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093219
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
methyl 2-[4-bromo-2-(1-chloro-2-oxopropyl)phenyl]acetate
CID 134635199
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
methyl 2-(1-bromonaphthalen-2-yl)acetate
CID 14492154

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate?
The IUPAC name of methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate (CID 68757437) is methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate.
What is the SMILES notation for methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate?
The canonical SMILES for methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate is COC(=O)Cc1cc2ccc(Br)cc2[nH]c1=O.
What is the InChIKey of methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate?
The InChIKey is GSJKLEDACOLIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-17-11(15)5-8-4-7-2-3-9(13)6-10(7)14-12(8)16/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate?
methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate has a molecular weight of 296.12 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bromo-2-oxo-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 68757437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).